In-Silico Structure Database (LMISSD)
Common Name
TG(P-16:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/16:1(9Z))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z-hexadecenoyl)-sn-glycerol
LM ID
LMGL03049N4K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.694475
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
1Z-alkenyldiacylglycerols [GL0304]
String Representations
InChiKey (Click to copy)
WWQWGSWTFWHICZ-SFIGMWHKSA-N
InChi (Click to copy)
InChI=1S/C55H92O5/c1-4-7-10-13-16-19-22-25-27-28-29-31-34-37-40-43-46-49-55(57)60-53(51-58-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)52-59-54(56)48-45-42-39-36-33-30-24-21-18-15-12-9-6-3/h7,10,14,16-17,19,21,24-25,27,29,31,37,40,47,50,53H,4-6,8-9,11-13,15,18,20,22-23,26,28,30,32-36,38-39,41-46,48-49,51-52H2,1-3H3/b10-7-,17-14-,19-16-,24-21-,27-25-,31-29-,40-37-,50-47-/t53-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)CO/C=C\CCCCCCCC/C=C\CCCC